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Nanoplastic interference at the air-water interface modulate the fate and toxic persistence of BHT and BHTQ: A multi-scale computational study
Summary
Tiny plastic particles floating on water's surface can act like a shield for a common food preservative (BHT) and its breakdown product, slowing down the natural process that normally breaks these chemicals down into safer forms. Using computer simulations, researchers found that two common plastic types (PE and PVC) can suppress this natural cleanup by up to 139 times, meaning these chemicals could stick around longer in the environment than expected. Since BHT is widely used in food packaging and cosmetics, this suggests that nanoplastic pollution may be quietly extending the environmental lifespan of other chemicals we're exposed to, an
The pervasive presence of nanoplastics at the air-water interface positions them as potential modulators of other coexisting emerging pollutants, yet their regulatory roles in interfacial adsorption and oxidation are extremely limited. Here, using multi-scale theoretical simulations, we investigated the interfacial behaviors of polyethylene (PE)/polyvinyl chloride (PVC) nanoplastic clusters, their impact on the adsorption and distribution of butylated hydroxytoluene (BHT) and 2,6-di-tert-butyl-1,4-benzoquinone (BHTQ), and the •OH-mediated oxidation of BHTQ across five systems (air, aqueous, air-water, air-pe-water and air-pvc-water). PE and PVC preferentially partition at the air-water interface: PE aggregates at the outer interface via vdW interactions, whereas PVC disperses at the inner interface through electrostatic interactions with interfacial water molecules. BHT/BHTQ show strong interfacial affinity (>89% retention) toward both pristine air-water interface and nanoplastic‑laden interfaces. PE promotes pollutant transfer to the aqueous phase, while PVC sequesters them at the interface, enhancing their aquatic stability. By modifying the interfacial environment, PE and PVC suppress the •OH-driven oxidation of BHTQ by approximately 139-fold and 4-fold, respectively, relative to the pristine air-water interface. Although •OH-mediated transformation reduces the aquatic toxicity of BHTQ, the inhibition by nanoplastics delays detoxification and exacerbates long-term risks. This study provides theoretical insights into the regulatory roles of PE/PVC in interfacial pollutant oxidation and highlights the combined environmental risks of nanoplastics and emerging pollutants in complex multiphase systems.